Geometry & MOs

Info

ID:	335604
PubChem CID:	127254466
Reduced:	OSN5C16H25 (1)
Stoich.:	ABC5D16E25 (1)
Weight, g/mol:	357.191323
ΔH_f, kcal/mol:	14.52
Dipole, Da:	9.8
IP(EA), eV:	-9.51(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethyl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CCCCCCCCNC(=O)C1=C(SC(=C1C)C)N2C=NN=N2

DOS

IR

Vibrations